Acetate → 1-(1-acetyl-3,3-dimethyl-2,3-dihydro-1H-indol-6-yl)-3-(2-amino-6-quinazolinyl)-4-methyl-2(1H)-pyridinone

HRID 2123879Notes

Reaction equation

HRID 2123879 reaction equation
[C:29]([CH3:30])(=[O:31])[N:32]1[CH2:33][C:34]([CH3:50])([CH3:51])[c:35]2[cH:36][cH:37][c:38](-[n:41]3[c:42](=[O:49])[c:43]([I:48])[c:44]([CH3:47])[cH:45][cH:46]3)[cH:39][c:40]21.[C:63]([O-:64])(=[O:65])[CH3:66].[C:68]([O-:69])(=[O:70])[CH3:71].[CH3:56][CH2:57][O:58][C:59]([CH3:60])=[O:61].[CH3:9][C:10]1([CH3:11])[C:12]([CH3:13])([CH3:14])[O:15][B:16]([c:17]2[cH:18][c:19]3[cH:20][n:21][c:22]([NH2:27])[n:23][c:24]3[cH:25][cH:26]2)[O:28]1.[CH:52]([OH:53])([CH3:54])[CH3:55].[K+:6].[K+:7].[K+:8].[OH2:62].[P:1]([O-:2])([O-:3])([O-:4])=[O:5].[Pd+2:67]>>[c:17]1(-[c:43]2[c:42](=[O:49])[n:41](-[c:38]3[cH:37][cH:36][c:35]4[c:40]([cH:39]3)[N:32]([C:29]([CH3:30])=[O:31])[CH2:33][C:34]4([CH3:50])[CH3:51])[cH:46][cH:45][c:44]2[CH3:47])[cH:18][c:19]2[cH:20][n:21][c:22]([NH2:27])[n:23][c:24]2[cH:25][cH:26]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 813Potassium Cation3×HCID 962WaterHCID 1061PhosphateHCID 3776IsopropanolHCID 8857Ethyl AcetateHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 160861386-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-amineHCID 670000331-(1-acetyl-3,3-dimethylindolin-6-yl)-3-iodo-4-methylpyridin-2(1H)-one

Product 1

HCID 250687791-(1-acetyl-3,3-dimethyl-2,3-dihydro-1H-indol-6-yl)-3-(2-amino-6-quinazolinyl)-4-methyl-2(1H)-pyridinone

Sources & evidence

ORD record
ord-248d5cc880004a098991db3401cc05d5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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